UCSF

ZINC27721352

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2009 30 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.16 8.37 -52.4 3 6 1 66 410.538 7
Mid Mid (pH 6-8) 4.16 6.06 -13.41 2 6 0 65 409.53 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )